CID 40427065

1083175-32-9

Structural Information

Molecular Formula
C8H16N2O2
SMILES
C1CNCCC1C[C@@H](C(=O)O)N
InChI
InChI=1S/C8H16N2O2/c9-7(8(11)12)5-6-1-3-10-4-2-6/h6-7,10H,1-5,9H2,(H,11,12)/t7-/m0/s1
InChIKey
VVDNQYDGDFYGMM-ZETCQYMHSA-N
Compound name
(2S)-2-amino-3-piperidin-4-ylpropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

62
Patents

172.12119 Da
Monoisotopic Mass

-2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.128466 140.4
[M+Na]+ 195.110408 143.1
[M-H]- 171.113914 138.2
[M+NH4]+ 190.155013 156.8
[M+K]+ 211.084348 141.2
[M+H-H2O]+ 155.118450 134.0
[M+HCOO]- 217.119391 155.6
[M+CH3COO]- 231.135041 176.2
[M+Na-2H]- 193.095856 141.9
[M]+ 172.12064142 131.5
[M]- 172.12173858 131.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe